3-(cyclohexylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-5-(o-tolylmethyl)-1H-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-5-(2-methylbenzyl)-1H-1,2,4-triazole Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=NN2)SCC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=NN2)SCC3CCCCC3

InChI

InChI=1S/C17H23N3S/c1-13-7-5-6-10-15(13)11-16-18-17(20-19-16)21-12-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,19,20)